0 B10R1.17 NNCCC1=CC=CC=C1 74134 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CCNC1=CC=CN=N1 79166 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.8 CSCC1=NC=CC=C1 W19655 [1,0,0,0,0,0|1,1,0]=3 3 B9R1.8 NNCC1=CC=NC=C1 78931 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.17 CO\N=C\C1=C(N)C=CC=C1 D79908 [0,1,0,0,0,0|1,0,1]=3 6 B11R1.24 CCNCC1=CC(Br)=CN=C1 78915 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.28 OCCCOC1=CC=NC=C1 W19282 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.40 COC(=O)CC1=CN=NC=C1 37090 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [0,1,0,0,0,0|3,0,0]=4 13 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [0,0,0,1,0,0|1,0,0]=2 14 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [0,0,0,1,0,0|3,0,0]=4 15 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.1 O=C1CCC2=C1C=NC=C2 D86734 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [0,0,0,1,0,0|2,0,0]=3 20 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [0,0,0,1,0,0|1,0,0]=2 21 B10R1.1 COCC1=NC=C(O)C=N1 P15188 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [1,1,0,0,0,0|1,0,0]=3 23 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.10 NCCC1=CC(F)=CN=C1 P21102 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.10 OCCC1=CC(F)=CN=C1 P21101 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [1,1,0,0,0,0|0,0,2]=4 27 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y13697 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.16 COC[C@H](N)C1=CC=C(F)C=C1 Y14599 [0,2,0,0,0,0|0,0,0]=2 30 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y13926 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y13927 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y13676 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y13677 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y13920 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y13921 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 Y14423 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y13918 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y13919 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y13684 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y13685 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y13924 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y13925 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13950 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 Y13951 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31003 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y13916 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y13917 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y13681 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y13682 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.28 COCCNC1=NC=CC(Cl)=N1 W19218 [0,2,0,0,0,0|2,0,0]=4 52 B12R1.226 CN(C)CCC1=CC=CC(Br)=C1 F52728 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.252 CC(C)OCCC1=NC=CC=C1 D72165 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 P17156 [0,2,0,0,0,0|1,0,1]=4 55 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.24 BrC1=CN=C2CNCCC2=C1 P11645 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 SC4247 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,1,0,1,0,0|1,0,0]=3 59 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,1,0,1,0,0|1,0,0]=3 60 B12R2.24 ClC1=CC2=C(C=C1)CCOC2 Y14506 [0,1,0,1,0,0|0,0,0]=2 61 B12R2.24 ClC1=NC2=C(C=C1)COCC2 83359 [0,1,0,1,0,0|1,0,0]=3 62 B12R2.24 ClC1=NC=C2CCCCC2=C1 77586 [0,1,0,1,0,0|2,0,0]=4 63 B12R2.24 ClC1=NC=C2CNCCC2=C1 AC3838 [0,1,0,1,0,0|2,0,0]=4 64 B12R2.24 O=C1C=C2CCCCC2=CN1 89637 [0,1,0,1,0,0|2,0,0]=4 65 B12R2.24 OC1=NC=C2CNCCC2=C1 66263 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 P16060 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 P10199 [0,1,0,1,0,0|1,0,0]=3 68 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 88184 [0,1,0,1,0,0|0,0,0]=2 69 B12R2.2302 BrC1=CC=C([C@@H]2CCO2)C=C1 AT23935 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 57896 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 AT15505 [0,1,0,1,0,0|1,0,0]=3 72 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 38197 [0,1,0,1,0,0|1,0,0]=3 73 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3567 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.22 NC1CC(C2=CC=CC=C2)C1 D96745 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 38953 [0,1,0,1,0,0|1,0,0]=3 76 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 D96746 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.27 N#CC1CC1C2=CC=CC=C2 78699 [0,1,0,1,0,0|1,0,1]=4 78 B12R2.116 NC1(C2=CC=CC=C2)COC1 32839 [0,1,0,1,0,0|0,0,0]=2 79 B12R2.116 OC1(C2=CC=CC=C2)COC1 32904 [0,1,0,1,0,0|0,0,0]=2 80 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Y13909 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [0,1,0,1,0,0|1,0,0]=3 82 B12R2.1081 ClC1=C2CCCCC2=NC=C1 O11216 [0,1,0,1,0,0|2,0,0]=4 83 B12R2.1081 ClC1=NC=CC2=C1CCCC2 53693 [0,1,0,1,0,0|2,0,0]=4 84 B12R2.1081 FC1=C2CCCCC2=CC=C1 Y14505 [0,1,0,1,0,0|1,0,0]=3 85 B12R2.1081 NC1=C2COCCC2=CC=C1 W16157 [0,1,0,1,0,0|0,0,0]=2 86 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 20130 [0,1,0,1,0,0|1,0,0]=3 87 B12R2.1081 O=C1C=CC=C2CNCCN12 F30423 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.1081 O=C1COCC2=C1C=CC=N2 A10613 [0,1,0,1,0,0|1,0,1]=4 89 B12R2.1081 O=C1NC=CC2=C1CCCC2 54630 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.1081 O=C1NC=CC2=C1CCNC2 67456 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y13768 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 C12344 [0,1,0,1,0,0|1,0,1]=4 93 B12R2.115 NC1CC1C2=C(F)C=CC=C2 D85587 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N13212 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y13708 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.517 FC1=C(C2CNC2)C=CC=C1 D96803 [0,1,0,1,0,0|1,0,0]=3 98 B12R2.203 O[C@H]1CCC2=CC=CC(F)=C21 Y14547 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67302 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y10271 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CC2 Y14104 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.2313 BrC1=CC(C2CCC2)=CC=C1 F53633 [0,1,0,1,0,0|1,0,0]=3 103 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 32920 [0,1,0,1,0,0|0,0,0]=2 104 B12R2.2313 NC1=NC=CC(C2CCC2)=C1 80940 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 37675 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.8 COCC1=NNC=C1 AC8210 [1,0,0,0,1,0|2,0,0]=4